The role of molecular vibrations has been theoretically investigated in the electronic ground state on the (e, 2e) valence orbital momentum profiles of furan by means of two complementary approaches. The first one relies upon the principles of Born-Oppenheimer Molecular Dynamics (BOMD), whereas the second one, referred as Harmonic Analytical Quantum Mechanical (HAQM) approach, includes on quantum-mechanical.
|Journal||Journal of Physics: Conference Series|
|Publication status||Published - 2015 Sep 7|
|Event||29th International Conference on Photonic, Electronic and Atomic Collisions, ICPEAC 2015 - Toledo, Spain|
Duration: 2015 Jul 22 → 2015 Jul 28
ASJC Scopus subject areas
- Physics and Astronomy(all)